56426-41-6

Basic information

• Product Name: 1H-Pyrazole, 5-methyl-3-phenyl-
• CAS NO: 56426-41-6
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• Mol File: 56426-41-6.mol

Chemical Properties

• CAS DataBase Reference: 1H-Pyrazole, 5-methyl-3-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole, 5-methyl-3-phenyl-(56426-41-6)
• EPA Substance Registry System: 1H-Pyrazole, 5-methyl-3-phenyl-(56426-41-6)

Safety Data

• Hazardous Substances Data: 56426-41-6(Hazardous Substances Data)

Upstream product

• 1008-75-9 3-methyl-5-phenylisoxazole 
• 939-03-7 3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole 
• 1600-27-7 mercury(II) diacetate 
• 64-19-7 acetic acid 
• 861598-67-6 4-dipropylamino-4-phenyl-but-3-en-2-one 
• 563-41-7 semicarbazide hydrochloride 
• 93-91-4 1-phenylbutan-1,3-dione 
• 76923-16-5 ethyl 3-methyl-5-phenyl-1H-pyrazole-4-carboxylate 
• 122851-95-0 1-(3-imino-1-methyl-3-phenylprop-1-enyl)-5-isothiocyanato-3-methyl-5-phenyl-2-pyrazoline 
• 82755-29-1 5-Methyl-3-phenyl-3,4-dihydro-2H-pyrazol-3-ol 
• 1721-83-1 (E)-benzalacetone oxime 
• 61210-87-5 [((E)-4-phenylbut-3-en-2-ylidene)amino]hydroxide 
• 1896-62-4 (E)-benzalacetone 
• 302-01-2 hydrazine 

Downstream Products

• 10250-60-9 1,5-dimethyl-3-phenyl-1H-pyrazole 
• 10250-58-5 1,3-dimethyl-5-phenyl-1H-pyrazole 
• 851427-81-1 1-ethyl-5-methyl-3-phenyl-1H-pyrazole 
• 155688-81-6 1-Propionyl-5-methyl-3-phenyl-pyrazol 
• 87929-19-9 1-ethoxycarbonyl-3-phenyl-5-methyl-pyrazole 
• 51108-55-5 methyl 5-methyl-3-phenylpyrazole-1-carboxylate 
• 94487-88-4 3-methyl-5-(4-nitrophenyl)pyrazole 
• 119416-32-9 3-methyl-4-nitro-5-(4-nitro-phenyl)-1⁽²⁾H-pyrazole 
• 71549-29-6 4-chloro-3-methyl-5-phenyl-1⁽²⁾H-pyrazole 
• 13808-66-7 4-bromo-3-methyl-5-phenyl-1H-pyrazole 
• 73882-46-9 1-Butyl-3-methyl-5-phenyl-1H-pyrazole 
• 77523-90-1 3-Methyl-5-phenyl-pyrazole-1-carboxylic acid propylamide 
• 77523-83-2 3-Methyl-5-phenyl-pyrazole-1-carbothioic acid ethylamide 
• 155688-79-2 3-methyl-5-phenyl-1-propionylpyrazole 

Relevant articles and documents

More than steric effects: Unlocking the coordination chemistry of barium pyrazolates

To further our understanding of the coordination chemistry of the heavy alkaline earth metals, we here report on a family of barium pyrazolates bearing various substitution patterns that illustrate the delicate balance between ligand bulk, donor size, sto

COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION

Heterocyclic compounds with a novel pyrazole thioamide-based NNSN structural motif, having highly effective zinc- or copper-activated toxicity against microbial infections at micromolar or nanomolar minimum inhibitory concentrations (MIC), and methods of making and using same.

Fragmenlt Recombination Design, Synthesis, and Safener Activity of Novel Ester-Substituted Pyrazole Derivatives

Fenoxaprop-p-ethyl (FE), a type of acetyl-CoA carboxylase (ACCase) inhibitor, has been extensively applied to a variety of crop plants. It can cause damage to wheat (Triticum aestivum) even resulting in the death of the crop. On the prerequisite of not reducing herbicidal efficiency on target weed species, herbicide safeners selectively protect crops from herbicide injury. Based on fragment splicing, a series of novel substituted pyrazole derivatives was designed to ultimately address the phytotoxicity to wheat caused by FE. The title compounds were synthesized in a one-pot way and characterized via infrared spectroscopy, 1H nuclear magnetic resonance, 13C nuclear magnetic resonance, and high-resolution mass spectrometry. The bioactivity assay proved that the FE phytotoxicity to wheat could be reduced by most of the title compounds. The molecular docking model indicated that compound IV-21 prevented fenoxaprop acid (FA) from reaching or acting with ACCase. The absorption, distribution, metabolism, excretion, and toxicity predictions demonstrated that compound IV-21 exhibited superior pharmacokinetic properties to the commercialized safener mefenpyr-diethyl. The current work revealed that a series of newly substituted pyrazole derivatives presented strong herbicide safener activity in wheat. This may serve as a potential candidate structure to contribute to the further protection of wheat from herbicide injury.

Green, homogeneous oxidation of alcohols by dimeric copper(II) complexes

Three pyrazole derivatives, 3,5-dimethyl-1H-pyrazole (DMPz) (I), 3-methyl-5-phenyl-1H-pyrazole (MPPz) (II), and 3,5-diphenyl-1H-pyrazole (DPPz) (III), were prepared via reacting semicarbazide hydrochloride with the acetylacetone, 1-phenylbutane-1,3-dione, and 1,3-diphenylpropane-1,3-dione, respectively. Complexes 1–3 were isolated by reacting CuCl2·2H2O with I–III, respectively, and characterized by CHNS elemental analyses, FT-IR, UV-Vis, 1H and 13C NMR, EPR spectra, and TGA/DTA. Molecular structures of the pyrazole derivatives I–III and copper(II) complexes 2 and 3 were studied through single-crystal XRD analysis to confirm their molecular structures. Overlapping of hyperfine splitting in the EPR spectra of the dimeric copper(II) complexes 1–3 indicates that both copper centers do not possess the same electronic environment in solution. The copper(II) complexes are dimeric in solid state as well as in solution and catalyze the oxidation of various primary and secondary alcohols selectively. Catalysts 1–3 show more than 92% product selectivity toward ketones during the oxidation of secondary alcohols. Surprisingly primary alcohols, which are relatively difficult to oxidize, produce carboxylic acid as a major product (48%–90% selectivity) irrespective of catalytic systems. The selectivity for carboxylic acid rises with decreasing the carbon chain length of the alcohols. An eco-friendly and affordable catalytic system for oxidation of alcohols is developed by the utilization of H2O2, a green oxidant, and water, a clean and greener solvent, which is a notable aspect of the study.

Pyrazole derivative compound, and preparation method and application thereof

The invention belongs to the technical field of medicine synthesis, and particularly relates to a pyrazole derivative compound, and a preparation method and an application thereof. The polysubstitutedpyrazole compound disclosed by the invention has a structure represented by a formula (I), wherein R1, R2 and R3 in the formula are respectively defined in the specification. The invention also relates to an agricultural composition containing the compound or the pharmaceutically acceptable salt thereof. The prepared compound has good safener activity, can well relieve the toxicity of herbicidesto crops after being used, and is beneficial to the growth of crops. Compared with similar compounds, the compound provided by the invention shows good detoxification effect and safety.

Monohydrochloride Assisted Synthesis of Functionalized Isoxazoles and Pyrazoles from Allenic Ketones: First Synthesis of (Z)-2-Methyl-7H-benzo[b]pyrazolo[5,1-d][1,5]oxazocines

A facile hydrochloride promoted regioselective synthesis of isoxazoles and pyrazoles from 1,2-allenic ketones is reported. The reaction has been scaled up to gram scale. A direct 8-endo dig ring annulations towards the first synthesis of (Z)-2-methyl-7H-b

Pyrazole compound containing N-aryl sulfonate and synthesis and application thereof

The invention discloses a pyrazole compound containing N-aryl sulfonate. A structural formula of the pyrazole compound is shown in the description. Proofed by pharmacological study, the pyrazole compound has the advantages that the activity of cyclooxygenase 2 is inhibited; the high-efficiency inhibition function on the generation of cyclooxygenase 2 due to inflammation mediums is realized, so that the pyrazole compound can be used as an active matter, and the prepared anti-inflammation medicine can be used for treating the inflammations, such as rheumatic arthritis and rheumatalgia, and the diseases and symptoms, such as fevers.

NITROGEN-CONTAINING BIOPOLYMER-BASED CATALYSTS, THEIR PREPARATION AND USES IN HYDROGENATION PROCESSES, REDUCTIVE DEHALOGENATION AND OXIDATION

The present invention relates to a process for the preparation of a nitrogen containing biopolymer-based catalyst by pyrolysis of a metal complex with a nitrogen-containing biopolymer and to the nitrogen containing biopolymer-based catalysts obtainable by this process. In particular, the invention relates to a nitrogen containing biopolymer-based catalyst comprising metal particles and at least one nitrogen containing carbon layer. The invention also relates to the use of a nitrogen containing biopolymer-based catalyst in a hydrogenation process, preferably in a process for hydrogenation of nitroarenes, nitriles or imines; in a reductive dehalogenation process of C-X bonds, wherein X is CI, Br or I, preferably in a process for dehalogenation of organohalides or in a process for deuterium labelling of arenes via dehalogenation of organohalides; or in an oxidation process. Further, the invention relates to a metal complex with the nitrogen containing biopolymer, wherein the metal is a transition metal selected from the group consisting of manganese, ruthenium, cobalt, rhodium, nickel, palladium and platinum, preferably cobalt or nickel, and wherein the nitrogen containing biopolymer is selected from chitosan, chitin and a polyamino acid, preferably chitosan or chitin.

A Biomass-Derived Non-Noble Cobalt Catalyst for Selective Hydrodehalogenation of Alkyl and (Hetero)Aryl Halides

Hydrodehalogenation is a straightforward approach for detoxifications of harmful anthropogenic organohalide-based pollutants, as well as removal of halide protecting groups used in multistep syntheses. A novel sustainable catalytic material was prepared from biowaste (chitosan) in combination with an earth-abundant cobalt salt. The heterogeneous catalyst was fully characterized by transmission electron microscope, X-ray diffraction, and X-ray photoelectron spectroscopy measurements, and successfully applied to hydrodehalogenation of alkyl and (hetero)aryl halides with broad scope (>40 examples) and excellent chemoselectivity using molecular hydrogen as a reductant. The general usefulness of this method is demonstrated by successful detoxification of non-degradable pesticides and fire retardants. Moreover, the potential of the catalyst as a deprotection tool is demonstrated in a multistep synthesis of (±)-peronatin B (alkaloid).

Direct synthesis of pyrazoles from esters using tert-butoxide-assisted C-(C=O) coupling

This paper describes the direct synthesis of pyrazoles from esters that comprises two sequential reactions: tert-butoxide-assisted C-C(=O) coupling reaction to yield β-ketonitrile or α,β-alkynone intermediates, and condensation by hydrazine addition. The method reported allows for easy control of the regioselectivity and structure of substituents at N-1, C-3, C-4 and/or C-5 positions.